| SpectraBase Compound ID | 9XN85J0N81F |
|---|---|
| InChI | InChI=1S/C12H15NO3S.2C4H9.Sn/c1-17-8-6-9-11(12(15)16)10(14)5-3-2-4-7-13-9;2*1-3-4-2;/h2-5,7,9,14H,6,8H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;+2/p-2/b4-2-,5-3-,11-10-,13-7-;;;/t9-;;;/m0.../s1 |
| InChIKey | DEEGRTCKNXNQRA-IYEDMLJCSA-L |
| Mol Weight | 484.24 g/mol |
| Molecular Formula | C20H31NO3SSn |
| Exact Mass | 485.104667 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AA4Q1d0kIbx |
|---|---|
| Name | (5S)-2,2-Di-n-Butyl-6-aza-1,3-dioxa-5-(2-methylsulfanylethyl)-2-stannabenzocyclononen-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H31NO3SSn |
| InChI | InChI=1S/C12H15NO3S.2C4H9.Sn/c1-17-8-6-9-11(12(15)16)10(14)5-3-2-4-7-13-9;2*1-3-4-2;/h2-5,7,9,14H,6,8H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;+2/p-2/b4-2-,5-3-,11-10-,13-7-;;;/t9-;;;/m0.../s1 |
| InChIKey | DEEGRTCKNXNQRA-IYEDMLJCSA-L |
| Molecular Weight | 484.243 g/mol |
| SMILES | C1=2C(O[Sn](OC2\C=C/C=C\C=N/[C@]1(CCSC)[H])(CCCC)CCCC)=O |
| SPLASH | splash10-004i-0007900000-e9d4150728eec183e03a |
| Source of Spectrum | QF-9-2302-5 |
| Wiley ID | 1558402 |